Geometry & MOs

Info

ID:	39853
PubChem CID:	8142575
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	322.027583
ΔH_f, kcal/mol:	-179.17
Dipole, Da:	8.99
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6R,7S)-4-(4-amino-3,5-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N/C=C\2/C(=O)NC(=O)N(C2=O)C[C@H]3CCCO3

DOS

IR

Vibrations